Cas no 13345-21-6 (3-Hydroxy Benzopyrene)

3-Hydroxy Benzopyrene structure
3-Hydroxy Benzopyrene structure
Product Name:3-Hydroxy Benzopyrene
CAS No:13345-21-6
MF:C20H12O
MW:268.308685302734
CID:163803
PubChem ID:25890
Update Time:2025-04-19

3-Hydroxy Benzopyrene Chemical and Physical Properties

Names and Identifiers

    • Benzo[pqr]tetraphen-3-ol
    • 3-Hydroxy Benzopyrene
    • 3-Hydroxybenzo[a]pyrene
    • Benzo[a]pyren-3-ol
    • 3-HOBP
    • bp-3-hydroxy
    • benzo(a)pyren-3-ol
    • 3-HYDROXYBENZ(A)PYRENE
    • 3-hydroxy-benzo(a)pyren
    • 8-hydroxy-3,4-benzpyrene
    • 23689, 3-Hydroxybenzo[a]pyrene (purity)
    • Benzo[def]chrysen-3-ol
    • BENZO(PQR)TETRAPHEN-3-OL
    • CHEBI:34337
    • BRN 2333868
    • Q26840846
    • 3-hydroxybenz[a]pyrene
    • BIDD:ER0040
    • UNII-672ICH1Q4L
    • 3-Hydroxy benzo[a]pyrene
    • 4-06-00-05133 (Beilstein Handbook Reference)
    • HYDROXYBENZO(A)PYRENE, 3-
    • FT-0636874
    • SCHEMBL145489
    • CCRIS 1071
    • 672ICH1Q4L
    • BDBM50474722
    • 8SK
    • CHEMBL8020
    • 3-hydroxy benzo(a)pyrene
    • Benzo(a)pyrene, 3-hydroxy-
    • 3-OH-BaP
    • AKOS022180750
    • SPUUWWRWIAEPDB-UHFFFAOYSA-N
    • FT-0669410
    • NS00014603
    • 3-Hydroxybenzo(a)pyrene
    • 13345-21-6
    • pentacyclo[10.6.2.0?,?.0?,??.0??,??]icosa-1(18),2(7),3,5,8,10,12,14,16,19-decaen-13-ol
    • DTXSID7038319
    • MDL: MFCD00215971
    • Inchi: 1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H
    • InChI Key: SPUUWWRWIAEPDB-UHFFFAOYSA-N
    • SMILES: OC1C=CC2=CC=C3C4C=CC=CC=4C=C4C=CC=1C2=C34

Computed Properties

  • Exact Mass: 268.08900
  • Monoisotopic Mass: 268.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 405
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.9
  • Topological Polar Surface Area: 20.2A^2

Experimental Properties

  • Density: 1.0921 (rough estimate)
  • Melting Point: 186-188°C
  • Boiling Point: 371.47°C (rough estimate)
  • Flash Point: 252.9°C
  • Refractive Index: 1.6220 (estimate)
  • PSA: 20.23000
  • LogP: 5.44280

3-Hydroxy Benzopyrene Security Information

  • Storage Condition:2-8°C

3-Hydroxy Benzopyrene Customs Data

  • HS CODE:2906299090
  • Customs Data:

    China Customs Code:

    2906299090

    Overview:

    2906299090 Other aromatic alcohols. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2906299090 other aromatic alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

3-Hydroxy Benzopyrene Pricemore >>

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3-Hydroxy Benzopyrene Production Method

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